Geometry & MOs

Info

ID:	23306
PubChem CID:	603042
Reduced:	SN2O2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	326.108899
ΔH_f, kcal/mol:	-19.3
Dipole, Da:	7.89
IP(EA), eV:	-8.75(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-(3-naphthalen-2-yloxypropylsulfanyl)-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=C(NC(=O)N=C1)SCCCOC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations